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Hydrochloric Acid → 1-morpholin-4-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-oxo-2-[4-(3-trifluoromethyl-phenoxy)-piperidin-1-yl]-ethyl}-amide

HRID 940632
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인쇄 미리보기

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HRID 940632 반응식
[CH3:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:52].[NH2:24][N:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1.[NH2:53][CH2:54][C:55](=[O:56])[N:57]1[CH2:58][CH2:59][CH:60]([O:63][c:64]2[cH:65][c:66]([C:70]([F:71])([F:72])[F:73])[cH:67][cH:68][cH:69]2)[CH2:61][CH2:62]1.[O:10]1[CH2:11][CH2:12][N:13]([n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[OH:23])[cH:20]2)[CH2:14][CH2:15]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:79].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[O:10]1[CH2:11][CH2:12][N:13]([n:16]2[n:17][n:18][c:19]([C:21](=[O:23])[NH:53][CH2:54][C:55](=[O:56])[N:57]3[CH2:58][CH2:59][CH:60]([O:63][c:64]4[cH:65][c:66]([C:70]([F:71])([F:72])[F:73])[cH:67][cH:68][cH:69]4)[CH2:61][CH2:62]3)[cH:20]2)[CH2:14][CH2:15]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 20315N-AminomorpholineHCID 757711-HydroxybenzotriazoleHCID 81531Diisopropylethylamine
HCID 66591548
2-Amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
HCID 665919181-morpholin-4-yl-1H-[1,2,3]triazole-4-carboxylic acid

생성물 1

HCID 442350261-morpholin-4-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-oxo-2-[4-(3-trifluoromethyl-phenoxy)-piperidin-1-yl]-ethyl}-amide

출처 및 근거

ORD 기록
ord-7f2e99774b314523bb50df562d373eb7
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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